| CAS Number | 859517-85-4 |
| Catalog Number | AG01E8RP |
| Chemical Name | 4-(Aminomethyl)-2-Chlorophenol Hydrobromide |
| IUPAC Name | 4-(aminomethyl)-2-chlorophenol;hydrobromide |
| InChI | InChI=1S/C7H8ClNO.BrH/c8-6-3-5(4-9)1-2-7(6)10;/h1-3,10H,4,9H2;1H |
| InChI Key | ZJVOPNZUXHHKTF-UHFFFAOYSA-N |
| MDL Number | MFCD30724061 |
| Molecular Formula | C7H9BrClNO |
| Molecular Weight | 238.5095 |
| SMILES | Br.NCC1=CC(=C(C=C1)O)Cl |
| Synonyms | 4-(aminomethyl)-2-chlorophenol hydrobromide,
SCHEMBL1469280,
ZJVOPNZUXHHKTF-UHFFFAOYSA-N,
4-(aminomethyl)-2-chloro-phenol hydrobromide,
4-aminomethyl-2-chloro-phenol hydrobromide salt,
Z2798559776,
859517-85-4,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.509g/mol |
| Monoisotopic Mass | 236.956g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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